N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-oxidanyl-3-phenyl-azetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide

Systemtic Name: N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-oxidanyl-3-phenyl-azetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(3-hydroxy-3-phenyl-azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-(3-hydroxy-3-phenyl-1-azetidinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(3-hydroxy-3-phenylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-(3-hydroxy-3-phenyl-azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]propionamide Formula: C26H27N7O2S MolecularWeight: 501.60328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CC(C4)(C5=CC=CC=C5)O

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CC(C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C26H27N7O2S/c1-3-24(34)27-19-9-11-20(12-10-19)36-25-29-21(28-22-13-17(2)31-32-22)14-23(30-25)33-15-26(35,16-33)18-7-5-4-6-8-18/h4-14,35H,3,15-16H2,1-2H3,(H,27,34)(H2,28,29,30,31,32)